#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r4q s PRO 2 N 0.00 4.07 0.33 -2.82 0.04 -1.26 -4.80 135.00 130.55 1r4q s PRO 2 Ca 0.00 1.48 -0.29 0.00 0.04 0.00 0.00 61.00 62.23 1r4q s PRO 2 Cb 0.00 -2.43 -0.10 0.00 0.04 0.00 0.00 34.50 32.01 1r4q s PRO 2 CO 0.00 -0.22 1.29 0.16 0.04 0.00 0.00 177.00 178.27 1r4q s ASP 3 N -1.66 6.81 -0.16 6.66 -4.77 -1.26 -1.72 116.67 120.56 1r4q s ASP 3 Ca 0.60 2.65 -0.01 0.00 -3.30 0.00 0.00 52.55 52.49 1r4q s ASP 3 Cb -0.21 -2.65 -0.10 0.00 -1.09 0.00 0.00 42.92 38.88 1r4q s ASP 3 CO 0.26 -0.50 -0.16 0.00 0.70 0.00 0.00 175.17 175.46 1r4q s VAL 5 N -2.32 0.01 -0.04 0.00 0.11 -1.12 -5.02 120.40 112.02 1r4q s VAL 5 Ca -0.22 -0.09 0.02 0.00 -2.93 0.00 0.00 61.98 58.76 1r4q s VAL 5 Cb 0.06 -0.83 0.01 0.00 -1.53 0.00 0.00 36.38 34.10 1r4q s VAL 5 CO 0.36 -0.05 -0.06 -0.89 -3.33 0.00 0.00 175.10 171.12 1r4q s THR 6 N -0.46 0.64 -5.00 5.04 2.01 -1.26 -1.18 115.64 115.43 1r4q s THR 6 Ca -0.06 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 61.72 1r4q s THR 6 Cb -0.03 -0.62 0.00 0.00 0.01 0.00 0.00 72.50 71.86 1r4q s THR 6 CO 0.04 0.23 0.00 0.61 -0.69 0.00 0.00 174.62 174.81 1r4q n GLY 7 N 3.74 -2.00 3.80 4.40 0.00 -0.56 -4.51 105.19 110.06 1r4q n GLY 7 Ca -0.23 -1.45 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 1r4q n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r4q s LYS 8 N -1.82 2.67 -0.29 1.61 1.02 -1.26 -2.29 119.74 119.38 1r4q s LYS 8 Ca 0.00 1.03 -0.28 0.00 0.02 0.00 0.00 55.97 56.74 1r4q s LYS 8 Cb 0.00 -1.95 0.01 0.00 -0.52 0.00 0.00 37.83 35.37 1r4q s LYS 8 CO 0.00 -1.31 1.00 0.08 -0.92 0.00 0.00 175.35 174.20 1r4q s VAL 9 N -3.00 4.63 0.20 3.17 1.01 -1.26 -4.32 120.40 120.83 1r4q s VAL 9 Ca 0.59 1.72 0.03 0.00 0.00 0.00 0.00 61.98 64.32 1r4q s VAL 9 Cb -0.15 -4.32 -0.10 0.00 0.00 0.00 0.00 36.38 31.81 1r4q s VAL 9 CO 0.55 -0.33 1.46 -0.33 0.00 0.00 0.00 175.10 176.45 1r4q h GLU 10 N 7.88 0.24 -1.22 2.72 4.39 -1.13 -3.47 114.58 123.99 1r4q h GLU 10 Ca -0.21 -0.21 0.18 0.00 0.34 0.00 0.00 59.36 59.46 1r4q h GLU 10 Cb 1.07 0.05 -0.27 0.00 -0.10 0.00 0.00 28.75 29.50 1r4q h GLU 10 CO 0.98 0.88 0.81 1.52 -1.16 0.00 0.00 179.01 182.05 1r4q s TYR 11 N -3.49 -0.15 -0.01 4.33 -0.85 -1.24 -4.98 117.35 110.95 1r4q s TYR 11 Ca -0.04 0.27 0.08 0.00 -0.52 0.00 0.00 57.07 56.87 1r4q s TYR 11 Cb 0.11 0.48 -0.02 0.00 0.38 0.00 0.00 41.96 42.90 1r4q s TYR 11 CO 0.82 -0.13 -0.25 0.95 -1.52 0.00 0.00 175.55 175.41 1r4q s THR 12 N -0.91 2.02 -0.21 -3.49 -4.23 -1.26 -0.99 115.64 106.57 1r4q s THR 12 Ca 0.05 -1.14 -0.04 0.00 -1.18 0.00 0.00 61.69 59.38 1r4q s THR 12 Cb -0.01 -1.69 -0.02 0.00 1.34 0.00 0.00 72.50 72.12 1r4q s THR 12 CO -0.06 0.52 -0.03 -0.54 -0.54 0.00 0.00 174.62 173.98 1r4q s LYS 13 N -0.72 3.49 -0.45 3.99 1.02 0.17 -4.99 119.74 122.24 1r4q s LYS 13 Ca 0.10 -0.58 -0.08 0.00 0.02 0.00 0.00 55.97 55.43 1r4q s LYS 13 Cb -0.10 -3.02 0.11 0.00 -0.52 0.00 0.00 37.83 34.30 1r4q s LYS 13 CO -0.00 -0.08 0.30 -0.47 -0.92 0.00 0.00 175.35 174.18 1r4q s TYR 14 N 1.20 3.43 0.16 3.18 6.14 -1.26 -1.94 117.35 128.26 1r4q s TYR 14 Ca 0.03 -1.90 -0.03 0.00 0.64 0.00 0.00 57.07 55.81 1r4q s TYR 14 Cb -0.14 -3.33 0.04 0.00 0.42 0.00 0.00 41.96 38.94 1r4q s TYR 14 CO -0.00 -0.96 0.21 0.09 0.64 0.00 0.00 175.55 175.53 1r4q n ASN 15 N 4.85 0.01 -0.08 4.32 3.02 -1.17 -5.05 115.26 121.16 1r4q n ASN 15 Ca -0.07 -1.07 -0.17 0.00 -0.03 0.00 0.00 54.58 53.23 1r4q n ASN 15 Cb 0.41 -0.16 -0.06 0.00 -0.61 0.00 0.00 39.78 39.35 1r4q n ASN 15 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1r4q n ASP 16 N -3.14 1.54 -0.40 6.41 2.03 -1.26 -4.29 116.55 117.45 1r4q n ASP 16 Ca 0.03 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.48 1r4q n ASP 16 Cb 0.09 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.05 1r4q n ASP 16 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1r4q n ASP 17 N -3.59 0.15 0.00 1.67 5.68 -1.26 -4.70 116.55 114.50 1r4q n ASP 17 Ca -0.32 -0.38 0.00 0.00 -0.50 0.00 0.00 54.79 53.58 1r4q n ASP 17 Cb 0.75 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.66 1r4q n ASP 17 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1r4q n ASP 18 N 0.22 -0.33 -4.74 -1.12 2.03 -1.26 -4.95 116.55 106.40 1r4q n ASP 18 Ca 0.00 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.91 1r4q n ASP 18 Cb 0.04 -1.23 -0.05 0.00 -0.72 0.00 0.00 41.12 39.16 1r4q n ASP 18 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1r4q s THR 19 N -0.46 4.76 -0.09 5.18 2.01 -1.26 -4.73 115.64 121.05 1r4q s THR 19 Ca 0.00 1.66 -0.19 0.00 0.31 0.00 0.00 61.69 63.47 1r4q s THR 19 Cb 0.00 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 1r4q s THR 19 CO 0.00 0.34 0.52 0.12 -0.69 0.00 0.00 174.62 174.91 1r4q s PHE 20 N 0.10 3.56 -0.04 4.92 5.36 -1.26 -3.03 117.98 127.59 1r4q s PHE 20 Ca 0.40 0.99 0.03 0.00 -0.96 0.00 0.00 56.93 57.39 1r4q s PHE 20 Cb -0.20 -2.58 0.00 0.00 -0.34 0.00 0.00 43.02 39.90 1r4q s PHE 20 CO 0.23 0.21 -0.13 0.99 -1.46 0.00 0.00 175.22 175.06 1r4q s THR 21 N 0.45 1.08 0.17 0.12 2.01 -0.82 -2.42 115.64 116.23 1r4q s THR 21 Ca 0.28 -0.51 0.11 0.00 0.31 0.00 0.00 61.69 61.88 1r4q s THR 21 Cb -0.16 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 1r4q s THR 21 CO 0.13 0.32 -0.24 0.68 -0.69 0.00 0.00 174.62 174.82 1r4q s VAL 22 N 0.20 2.37 -0.29 3.82 -7.23 0.57 -0.66 120.40 119.19 1r4q s VAL 22 Ca -0.05 -1.92 -0.05 0.00 -1.81 0.00 0.00 61.98 58.16 1r4q s VAL 22 Cb -0.11 -2.11 0.02 0.00 0.56 0.00 0.00 36.38 34.75 1r4q s VAL 22 CO 0.02 -0.04 0.03 -0.75 -0.31 0.00 0.00 175.10 174.04 1r4q s LYS 23 N -2.47 2.89 -0.07 4.82 2.47 -0.17 -1.76 119.74 125.46 1r4q s LYS 23 Ca 0.19 -0.97 0.01 0.00 -1.56 0.00 0.00 55.97 53.64 1r4q s LYS 23 Cb -0.09 -3.25 0.02 0.00 -1.46 0.00 0.00 37.83 33.05 1r4q s LYS 23 CO 0.09 -0.48 -0.09 0.08 0.16 0.00 0.00 175.35 175.12 1r4q s VAL 24 N 1.41 0.91 0.00 4.02 1.01 -0.96 -0.44 120.40 126.35 1r4q s VAL 24 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1r4q s VAL 24 Cb -0.18 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.33 1r4q s VAL 24 CO 0.00 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1r4q n GLY 25 N 4.09 2.56 0.26 4.51 0.00 -1.26 -2.74 105.19 112.61 1r4q n GLY 25 Ca -0.21 -0.29 0.08 0.00 0.00 0.00 0.00 46.02 45.60 1r4q n GLY 25 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1r4q n ASP 26 N 6.61 1.38 -4.79 1.61 5.75 -1.26 -4.98 116.55 120.86 1r4q n ASP 26 Ca 0.00 -1.19 -0.22 0.00 -0.01 0.00 0.00 54.79 53.37 1r4q n ASP 26 Cb 0.00 0.65 -0.05 0.00 -1.03 0.00 0.00 41.12 40.69 1r4q n ASP 26 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1r4q s LYS 27 N -2.18 2.80 -0.37 0.11 1.02 -1.11 -4.99 119.74 115.02 1r4q s LYS 27 Ca 0.11 -1.13 -0.01 0.00 0.02 0.00 0.00 55.97 54.96 1r4q s LYS 27 Cb 0.13 -2.49 0.10 0.00 -0.52 0.00 0.00 37.83 35.05 1r4q s LYS 27 CO 0.51 0.37 0.13 -2.00 -0.92 0.00 0.00 175.35 173.45 1r4q s GLU 28 N -3.82 1.97 0.24 1.68 2.12 -1.26 -2.27 118.70 117.35 1r4q s GLU 28 Ca 0.33 -1.72 0.07 0.00 0.36 0.00 0.00 54.97 54.01 1r4q s GLU 28 Cb -0.07 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 1r4q s GLU 28 CO 0.24 -0.95 0.17 -0.51 -0.54 0.00 0.00 175.26 173.67 1r4q s LEU 29 N 1.11 3.77 0.14 2.70 1.43 -0.72 -1.03 118.68 126.07 1r4q s LEU 29 Ca 0.06 -0.26 0.09 0.00 -1.03 0.00 0.00 54.13 52.99 1r4q s LEU 29 Cb -0.21 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 1r4q s LEU 29 CO -0.04 -0.02 -0.20 0.72 0.23 0.00 0.00 176.35 177.03 1r4q s PHE 30 N -2.09 1.87 -0.00 0.29 -0.71 -0.71 -0.31 117.98 116.31 1r4q s PHE 30 Ca 0.32 -0.43 -0.02 0.00 -1.04 0.00 0.00 56.93 55.77 1r4q s PHE 30 Cb -0.08 -0.98 -0.00 0.00 -1.21 0.00 0.00 43.02 40.75 1r4q s PHE 30 CO 0.24 0.28 0.03 -0.08 -1.34 0.00 0.00 175.22 174.35 1r4q s THR 31 N -1.55 0.05 -1.82 -4.49 -1.32 -1.02 -2.58 115.64 102.91 1r4q s THR 31 Ca 0.12 -0.37 0.15 0.00 -1.21 0.00 0.00 61.69 60.37 1r4q s THR 31 Cb -0.08 -0.17 0.12 0.00 -1.51 0.00 0.00 72.50 70.86 1r4q s THR 31 CO 0.06 -0.21 0.97 0.59 -2.21 0.00 0.00 174.62 173.82 1r4q n ASN 32 N 2.41 2.24 -4.60 8.08 3.02 -1.26 -4.11 115.26 121.04 1r4q n ASN 32 Ca -0.17 -1.62 -0.43 0.00 -0.03 0.00 0.00 54.58 52.33 1r4q n ASN 32 Cb 0.58 -0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.72 1r4q n ASN 32 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1r4q s ARG 33 N -1.21 3.65 0.31 3.52 1.81 -1.26 -4.94 118.95 120.83 1r4q s ARG 33 Ca 0.17 0.67 0.06 0.00 -1.72 0.00 0.00 55.73 54.92 1r4q s ARG 33 Cb 0.12 -3.96 0.85 0.00 -0.45 0.00 0.00 34.95 31.51 1r4q s ARG 33 CO 0.18 -1.48 1.65 -1.49 -0.68 0.00 0.00 175.30 173.49 1r4q h TRP 34 N 9.80 0.55 0.00 -0.53 4.06 -2.02 -1.83 115.95 125.97 1r4q h TRP 34 Ca -0.25 0.05 -0.20 0.00 2.06 0.00 0.00 58.89 60.55 1r4q h TRP 34 Cb 1.08 -0.09 -0.03 0.00 -1.00 0.00 0.00 29.16 29.12 1r4q h TRP 34 CO 0.98 -0.20 -0.97 -0.97 -3.56 0.00 0.00 178.44 173.72 1r4q h ASN 35 N 0.25 0.00 -0.04 -3.49 -1.24 -2.02 -3.22 115.58 105.82 1r4q h ASN 35 Ca 0.62 0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.64 1r4q h ASN 35 Cb 1.31 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.36 1r4q h ASN 35 CO -0.65 0.92 0.08 0.25 -1.29 0.00 0.00 177.43 176.74 1r4q h LEU 36 N 0.00 0.00 -0.15 0.34 6.46 -1.75 -2.76 115.31 117.45 1r4q h LEU 36 Ca -0.02 0.00 -0.23 0.00 -0.12 0.00 0.00 57.88 57.51 1r4q h LEU 36 Cb 1.73 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.65 1r4q h LEU 36 CO 0.12 0.00 -0.97 1.56 -0.62 0.00 0.00 178.44 178.53 1r4q h GLN 37 N 0.00 0.35 -0.23 1.25 4.20 -1.55 -2.47 115.11 116.65 1r4q h GLN 37 Ca 0.02 -0.40 -0.18 0.00 0.06 0.00 0.00 58.65 58.15 1r4q h GLN 37 Cb 0.17 0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 1r4q h GLN 37 CO -0.00 1.09 -0.59 0.77 -0.67 0.00 0.00 178.83 179.43 1r4q h SER 38 N 0.18 0.84 -0.53 1.46 0.02 -1.65 -2.44 113.55 111.44 1r4q h SER 38 Ca -0.08 -0.47 0.02 0.00 -0.84 0.00 0.00 61.79 60.42 1r4q h SER 38 Cb 1.62 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.88 1r4q h SER 38 CO 0.16 1.25 0.33 -0.07 -1.14 0.00 0.00 176.83 177.36 1r4q h LEU 39 N 0.56 0.55 -1.32 5.07 3.38 -1.57 -1.35 115.31 120.63 1r4q h LEU 39 Ca 0.00 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1r4q h LEU 39 Cb 1.18 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1r4q h LEU 39 CO 0.12 0.39 -0.33 -0.07 0.09 0.00 0.00 178.44 178.64 1r4q h LEU 40 N 0.66 0.00 -0.33 1.67 3.38 -1.41 -0.90 115.31 118.38 1r4q h LEU 40 Ca 0.21 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.00 1r4q h LEU 40 Cb -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1r4q h LEU 40 CO -0.08 0.33 -0.52 -0.07 0.09 0.00 0.00 178.44 178.19 1r4q h LEU 41 N 0.00 0.96 -0.64 1.67 3.38 -0.87 -0.34 115.31 119.47 1r4q h LEU 41 Ca -0.00 -0.50 -0.09 0.00 0.09 0.00 0.00 57.88 57.37 1r4q h LEU 41 Cb 0.63 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1r4q h LEU 41 CO 0.04 1.30 0.06 0.28 0.09 0.00 0.00 178.44 180.21 1r4q h SER 42 N 0.67 1.06 -0.76 -0.43 0.02 -0.86 0.15 113.55 113.39 1r4q h SER 42 Ca 0.02 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 1r4q h SER 42 Cb 1.13 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 63.35 1r4q h SER 42 CO 0.12 1.08 0.42 0.00 -1.14 0.00 0.00 176.83 177.31 1r4q h ALA 43 N 1.02 0.98 0.06 3.77 0.00 -1.05 -0.41 119.26 123.62 1r4q h ALA 43 Ca 0.19 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1r4q h ALA 43 Cb 0.50 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1r4q h ALA 43 CO 0.02 0.49 -0.03 0.37 0.00 0.00 0.00 179.25 180.10 1r4q h GLN 44 N 1.05 -0.07 -0.02 0.00 4.15 -0.64 -1.03 115.11 118.55 1r4q h GLN 44 Ca 0.27 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.67 1r4q h GLN 44 Cb 0.03 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.73 1r4q h GLN 44 CO -0.04 0.19 -0.09 0.82 -1.93 0.00 0.00 178.83 177.78 1r4q h ILE 45 N -0.34 1.08 -0.02 2.39 2.04 -0.77 -2.94 117.51 118.95 1r4q h ILE 45 Ca -0.01 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1r4q h ILE 45 Cb 0.30 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1r4q h ILE 45 CO 0.01 0.10 -0.32 0.35 0.00 0.00 0.00 178.15 178.29 1r4q n THR 46 N -4.42 0.00 -0.50 -0.27 -2.24 -0.18 -4.99 114.28 101.69 1r4q n THR 46 Ca -0.02 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1r4q n THR 46 Cb 0.18 1.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.69 1r4q n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r4q n GLY 47 N 1.30 0.75 3.60 3.38 0.00 -0.81 -5.04 105.19 108.37 1r4q n GLY 47 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1r4q n GLY 47 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1r4q n MET 48 N -2.44 -0.02 -4.27 1.61 2.81 -0.46 -4.95 117.12 109.41 1r4q n MET 48 Ca 0.00 0.06 -0.34 0.00 -1.81 0.00 0.00 57.70 55.61 1r4q n MET 48 Cb 0.00 -2.22 -0.11 0.00 -0.71 0.00 0.00 33.22 30.18 1r4q n MET 48 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1r4q s THR 49 N -2.24 4.24 0.27 2.03 2.01 -1.19 -4.49 115.64 116.26 1r4q s THR 49 Ca 0.68 -0.24 0.10 0.00 0.31 0.00 0.00 61.69 62.54 1r4q s THR 49 Cb -0.27 -2.87 -0.05 0.00 0.01 0.00 0.00 72.50 69.32 1r4q s THR 49 CO 0.56 0.50 -0.16 0.68 -0.69 0.00 0.00 174.62 175.51 1r4q s VAL 50 N 0.22 2.17 -0.09 3.82 -7.23 -0.97 -1.21 120.40 117.10 1r4q s VAL 50 Ca 0.00 -2.31 0.01 0.00 -1.81 0.00 0.00 61.98 57.88 1r4q s VAL 50 Cb -0.13 -2.29 0.02 0.00 0.56 0.00 0.00 36.38 34.54 1r4q s VAL 50 CO 0.02 -0.42 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.39 1r4q s THR 51 N -2.69 1.14 -0.20 5.32 2.01 -0.99 -1.49 115.64 118.72 1r4q s THR 51 Ca 0.28 -0.42 -0.09 0.00 0.31 0.00 0.00 61.69 61.78 1r4q s THR 51 Cb -0.02 -1.09 -0.04 0.00 0.01 0.00 0.00 72.50 71.35 1r4q s THR 51 CO 0.13 0.37 0.10 -0.63 -0.69 0.00 0.00 174.62 173.90 1r4q s ILE 52 N 1.19 4.98 -0.14 1.82 1.01 -0.33 -1.36 121.20 128.38 1r4q s ILE 52 Ca -0.04 0.04 -0.04 0.00 0.00 0.00 0.00 60.65 60.60 1r4q s ILE 52 Cb -0.14 -3.28 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 1r4q s ILE 52 CO -0.03 0.42 0.01 -0.54 0.00 0.00 0.00 174.94 174.80 1r4q s LYS 53 N 0.62 3.52 -0.06 2.79 1.02 -0.40 -0.34 119.74 126.90 1r4q s LYS 53 Ca 0.05 -0.42 -0.31 0.00 0.02 0.00 0.00 55.97 55.31 1r4q s LYS 53 Cb -0.13 -2.97 0.12 0.00 -0.52 0.00 0.00 37.83 34.33 1r4q s LYS 53 CO 0.01 0.43 1.08 -0.08 -0.92 0.00 0.00 175.35 175.87 1r4q s THR 54 N -0.11 0.00 -0.12 2.17 -1.32 -0.70 -4.01 115.64 111.55 1r4q s THR 54 Ca 0.04 -0.10 0.20 0.00 -1.21 0.00 0.00 61.69 60.62 1r4q s THR 54 Cb -0.13 -1.24 -0.22 0.00 -1.51 0.00 0.00 72.50 69.41 1r4q s THR 54 CO 0.02 0.00 0.57 0.59 -2.21 0.00 0.00 174.62 173.59 1r4q n ASN 55 N -0.24 0.34 -1.94 8.08 5.03 -1.26 -4.32 115.26 120.95 1r4q n ASN 55 Ca -0.05 0.14 -0.16 0.00 0.87 0.00 0.00 54.58 55.39 1r4q n ASN 55 Cb 0.60 1.11 0.01 0.00 -1.02 0.00 0.00 39.78 40.48 1r4q n ASN 55 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1r4q n ALA 56 N -2.38 5.26 -1.28 5.41 0.00 -1.26 -4.89 120.51 121.36 1r4q n ALA 56 Ca -0.11 -1.68 -0.43 0.00 0.00 0.00 0.00 53.44 51.23 1r4q n ALA 56 Cb 0.75 -1.50 -0.05 0.00 0.00 0.00 0.00 19.45 18.66 1r4q n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r4q s HIS 58 N 4.77 -0.58 0.12 0.00 -3.43 -1.26 -5.05 115.29 109.85 1r4q s HIS 58 Ca 0.56 0.87 -0.35 0.00 -0.80 0.00 0.00 55.06 55.34 1r4q s HIS 58 Cb 0.14 0.40 -0.17 0.00 -1.43 0.00 0.00 32.58 31.52 1r4q s HIS 58 CO 0.08 -0.64 1.08 0.09 -2.00 0.00 0.00 174.74 173.35 1r4q n ASN 59 N 0.68 0.69 0.00 7.38 5.03 -1.26 0.85 115.26 128.62 1r4q n ASN 59 Ca -0.19 1.14 0.00 0.00 0.87 0.00 0.00 54.58 56.40 1r4q n ASN 59 Cb 0.59 -1.10 0.00 0.00 -1.02 0.00 0.00 39.78 38.25 1r4q n ASN 59 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1r4q n GLY 60 N 1.95 3.11 3.73 7.41 0.00 -0.20 -4.97 105.19 116.23 1r4q n GLY 60 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1r4q n GLY 60 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r4q s GLY 61 N -2.00 2.32 0.33 -0.02 0.00 0.25 -4.64 107.32 103.55 1r4q s GLY 61 Ca 0.00 0.81 0.06 0.00 0.00 0.00 0.00 44.72 45.59 1r4q s GLY 61 CO 0.00 1.20 0.46 -0.32 0.00 0.00 0.00 173.10 174.44 1r4q s GLY 62 N -2.14 1.57 0.23 0.20 0.00 -1.26 -1.74 107.32 104.18 1r4q s GLY 62 Ca 0.73 -1.44 -0.20 0.00 0.00 0.00 0.00 44.72 43.81 1r4q s GLY 62 CO 0.44 -1.37 0.62 -0.11 0.00 0.00 0.00 173.10 172.68 1r4q s PHE 63 N -2.16 -0.17 0.00 1.90 -0.12 -1.07 -4.53 117.98 111.84 1r4q s PHE 63 Ca 0.44 -0.21 0.00 0.00 -0.05 0.00 0.00 56.93 57.11 1r4q s PHE 63 Cb -0.09 0.54 0.00 0.00 -0.63 0.00 0.00 43.02 42.84 1r4q s PHE 63 CO 0.31 -1.06 0.14 -1.13 -0.05 0.00 0.00 175.22 173.43 1r4q n SER 64 N -0.41 0.00 -4.07 1.98 3.41 -1.26 -4.59 113.62 108.68 1r4q n SER 64 Ca -0.08 -1.00 -0.31 0.00 -0.26 0.00 0.00 58.87 57.22 1r4q n SER 64 Cb 0.61 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.40 1r4q n SER 64 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1r4q s GLU 65 N 0.00 2.57 -0.01 4.33 2.02 -1.26 -5.08 118.70 121.29 1r4q s GLU 65 Ca 0.00 -0.67 0.01 0.00 0.02 0.00 0.00 54.97 54.33 1r4q s GLU 65 Cb 0.00 -2.25 -0.00 0.00 0.10 0.00 0.00 34.13 31.98 1r4q s GLU 65 CO 0.00 -0.18 -0.04 0.08 0.02 0.00 0.00 175.26 175.14 1r4q s VAL 66 N 1.28 0.34 -0.11 2.63 1.01 -1.26 -1.27 120.40 123.01 1r4q s VAL 66 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1r4q s VAL 66 Cb -0.13 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 1r4q s VAL 66 CO -0.09 0.10 -0.11 -0.63 0.00 0.00 0.00 175.10 174.37 1r4q s ILE 67 N -0.01 3.28 -0.24 2.22 1.01 -0.46 -4.96 121.20 122.03 1r4q s ILE 67 Ca 0.01 -0.60 -0.07 0.00 0.00 0.00 0.00 60.65 59.99 1r4q s ILE 67 Cb -0.03 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.05 1r4q s ILE 67 CO -0.00 0.54 0.05 -0.36 0.00 0.00 0.00 174.94 175.17 1r4q s PHE 68 N 0.02 3.07 -1.25 3.97 0.40 -1.26 -2.36 117.98 120.57 1r4q s PHE 68 Ca -0.03 -0.48 0.10 0.00 -0.60 0.00 0.00 56.93 55.92 1r4q s PHE 68 Cb -0.14 -2.21 0.08 0.00 0.51 0.00 0.00 43.02 41.26 1r4q s PHE 68 CO 0.04 -0.37 0.82 0.54 0.70 0.00 0.00 175.22 176.94